<div dir="ltr"><div>Hi all,</div><div><br></div>I've added to a well-working input<div>    <div>&ELF_CUBE<div> STRIDE 6</div><div> &EACH</div><div>   GEO_OPT 5</div><div> &END EACH<br></div><div> &END ELF_CUBE</div></div></div><div><br></div><div>and get an error:</div><div><br></div><div><div>        ----- ELF is computed on the real space grid -----</div><div><br></div><div><br></div><div> ELF is written in cube file format to the file:</div><div><br></div><div> ELF_S1</div><div><br></div><div> *******************************************************************************</div><div> *  ___                                    *</div><div> *  /                                      *</div><div> *[ABORT]                                    *</div><div> * ___/                CPASSERT failed              *</div><div> *  |                                      *</div><div> *O/|   /                                   *</div><div> *| |   /                                   *</div><div> *    **                    pw/realspace_grid_cube.F:142 *</div><div> *******************************************************************************</div><div><br></div><div><br></div><div> ===== Routine Calling Stack ===== </div><div><br></div><div>      10 pw_to_cube</div><div>      9 qs_scf_post_elf</div><div>      8 scf_post_calculation_gpw</div><div>      7 qs_energies</div><div>      6 qs_forces</div><div>      5 cp_eval_at</div><div>      4 cp_cg_main</div><div>      3 geoopt_cg</div><div>      2 cp_geo_opt</div><div>      1 CP2K</div></div></div>